3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine

C13H28N2 — CID 62574451

IUPAC3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
SMILESCC1CCCN(CCNC(C)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-11(2)13(4)14-7-9-15-8-5-6-12(3)10-15/h11-14H,5-10H2,1-4H3
InChIKeyOIYBBWVDDUZKPI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine

3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine (PubChem CID 62574451) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
PubChem CID62574451
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
SMILESCC1CCCN(CCNC(C)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-11(2)13(4)14-7-9-15-8-5-6-12(3)10-15/h11-14H,5-10H2,1-4H3
InChIKeyOIYBBWVDDUZKPI-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylbutan-2-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111000754
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115562332
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167315
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
1-ethyl-3-(3-methylbutan-2-yl)-2-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111000757
3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
CID 62573692
(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
CID 119851018
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62575106
ethane;3-methyl-1-propylpiperidine
CID 156729460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine (CID 62574451) is 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine is CC1CCCN(CCNC(C)C(C)C)C1.
What is the InChIKey of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine?
The InChIKey is OIYBBWVDDUZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)13(4)14-7-9-15-8-5-6-12(3)10-15/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine?
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62574451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).